[4-Hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-(5-oxooxolane-3-carbonyl)-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate
| Internal ID | 16088d8b-99bb-4296-a96a-0632022fb253 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Quassinoids |
| IUPAC Name | [4-hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-(5-oxooxolane-3-carbonyl)-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H36O9/c1-12-6-16(29)24(33)26(4)15(12)8-19-27(5)18(9-21(31)36-19)25(3,10-17(22(26)27)35-13(2)28)23(32)14-7-20(30)34-11-14/h12,14-19,22,29H,6-11H2,1-5H3 |
| InChI Key | XNXXVFZJNZBURI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O9 |
| Molecular Weight | 504.60 g/mol |
| Exact Mass | 504.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [4-Hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-(5-oxooxolane-3-carbonyl)-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/fca56460-86ca-11ee-a615-b353737decf7.jpg "2D Structure of [4-Hydroxy-2,6,14,17-tetramethyl-3,11-dioxo-14-(5-oxooxolane-3-carbonyl)-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.18% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.01% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.32% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.98% | 91.19% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.52% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.77% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.62% | 97.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.21% | 97.79% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.74% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.66% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.61% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.08% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.58% | 94.80% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.51% | 98.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.43% | 82.69% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.29% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.20% | 90.17% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.20% | 94.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.86% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.60% | 97.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 4027256 |
| LOTUS | LTS0084820 |
| wikiData | Q104201179 |